SCHEMBL20874792

SCHEMBL20874792

COc1ncnn2c(Br)cc(Br)c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EGLN2 Q96KS0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13392128 0.70 ALDH1A1 (0.36) ALDH1A1KDM4EEGLN2
SCHEMBL20874837 0.69 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL20874835 0.69 ALDH1A1 (0.35) CHRNA7HTR3AALDH1A1
SCHEMBL25714865 0.68 PIK3CD (0.39)
SCHEMBL21199142 0.67 RIPK1 (0.37) ALDH1A1KDM4EHPGD
SCHEMBL19698013 0.67 PIK3CD (0.35) ALDH1A1EGLN2
SCHEMBL24393158 0.66 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL24393338 0.63 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL21199137 0.63 ALDH1A1 (0.33) ALDH1A1KDM4EEGLN2
SCHEMBL21199422 0.63 ACVRL1 (0.39) EGLN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025124429-A1 AROMATIC AMINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京康辰药业股份有限公司 2025-06-19 WO disclosed
EP-3450436-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-07-27 EP disclosed
US-11390634-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-07-19 US disclosed
CN-109415384-B Fused heterocyclic compound 武田药品工业株式会社 2022-01-11 CN disclosed
US-20210115067-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-22 US disclosed
US-10981934-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 US disclosed
US-20200140462-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-07 US disclosed
US-10577382-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-03-03 US disclosed
US-20190106437-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200140462-A1 FUSED HETEROCYCLIC COMPOUND REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNA7 3953/4885HTR3A 4099/4885ALDH1A1 1081/4885
US-10577382-B2 Fused heterocyclic compound REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNA7 4075/4885HTR3A 4205/4885ALDH1A1 1130/4885
US-10981934-B2 Fused heterocyclic compound REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNA7 3953/4885HTR3A 4099/4885ALDH1A1 1081/4885
US-11390634-B2 Fused heterocyclic compound REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNA7 3953/4885HTR3A 4099/4885ALDH1A1 1081/4885
US-20210115067-A1 FUSED HETEROCYCLIC COMPOUND REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNA7 3953/4885HTR3A 4099/4885ALDH1A1 1081/4885
US-20190106437-A1 FUSED HETEROCYCLIC COMPOUND REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNA7 3953/4885HTR3A 4099/4885ALDH1A1 1081/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.